2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine

C47H31NS — CID 174327283

IUPAC2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C47H31NS/c1-4-14-32(15-5-1)38-30-43(33-16-6-2-7-17-33)48-44(31-38)37-21-12-20-35(28-37)39-23-13-24-40(47(39)34-18-8-3-9-19-34)36-26-27-46-42(29-36)41-22-10-11-25-45(41)49-46/h1-31H
InChIKeyRWJUPBAPAIHRKP-UHFFFAOYSA-N
MW641.84 g/mol
LogP13.45
Rot. Bonds6

About 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine

2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine (PubChem CID 174327283) has the molecular formula C47H31NS and a molecular weight of 641.84 g/mol. Its IUPAC name is 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine
PubChem CID174327283
Molecular FormulaC47H31NS
Molecular Weight641.84 g/mol
Exact Mass641.22
IUPAC Name2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C47H31NS/c1-4-14-32(15-5-1)38-30-43(33-16-6-2-7-17-33)48-44(31-38)37-21-12-20-35(28-37)39-23-13-24-40(47(39)34-18-8-3-9-19-34)36-26-27-46-42(29-36)41-22-10-11-25-45(41)49-46/h1-31H
InChIKeyRWJUPBAPAIHRKP-UHFFFAOYSA-N
XLogP13.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.84
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160765748
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-(3-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171585058
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318
2-(10-dibenzothiophen-2-yltriphenylen-1-yl)-4,6-diphenylpyridine
CID 138600120
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583426
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583300
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4,6-diphenylpyrimidine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161455917
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 171582809
4-dibenzothiophen-2-yl-6-[3-dibenzothiophen-2-yl-5-(2-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171582700
2,4-bis(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-4-(4-triphenylen-2-ylphenyl)pyridine
CID 159098528
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171583317

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine (CID 174327283) is 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine?
The InChIKey is RWJUPBAPAIHRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NS/c1-4-14-32(15-5-1)38-30-43(33-16-6-2-7-17-33)48-44(31-38)37-21-12-20-35(28-37)39-23-13-24-40(47(39)34-18-8-3-9-19-34)36-26-27-46-42(29-36)41-22-10-11-25-45(41)49-46/h1-31H.
What are the key properties of 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine?
2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine has a molecular weight of 641.84 g/mol, XLogP of 13.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-dibenzothiophen-2-yl-2-phenylphenyl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 174327283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).